REMARK Name = BDB027015 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.567 -0.752 -0.104 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -0.406 -1.122 -1.273 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 4.709 0.423 0.018 0.00 0.00 +0.019 A ATOM 4 C LIG 1 4.055 0.603 1.250 0.00 0.00 +0.037 A ATOM 5 C LIG 1 2.683 0.330 1.336 0.00 0.00 +0.048 A ATOM 6 C LIG 1 1.931 -0.116 0.251 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.576 -0.290 0.699 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.565 0.058 2.040 0.00 0.00 +0.095 A ATOM 9 C LIG 1 2.595 -0.297 -0.980 0.00 0.00 +0.011 A ATOM 10 N LIG 1 1.832 0.426 2.408 0.00 0.00 -0.360 N ATOM 11 H LIG 1 2.113 0.723 3.333 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 3.970 -0.027 -1.083 0.00 0.00 +0.012 A BRANCH 3 17 ATOM 13 C LIG 1 9.267 1.059 -1.929 0.00 0.00 +0.065 C ATOM 14 C LIG 1 8.192 1.005 -0.917 0.00 0.00 +0.033 A ATOM 15 N LIG 1 6.895 0.674 -1.218 0.00 0.00 -0.342 N ATOM 16 H LIG 1 6.543 0.445 -2.135 0.00 0.00 +0.167 HD ATOM 17 C LIG 1 6.148 0.715 -0.062 0.00 0.00 +0.138 A ATOM 18 N LIG 1 6.924 1.064 0.951 0.00 0.00 -0.236 NA ATOM 19 C LIG 1 8.181 1.242 0.437 0.00 0.00 +0.134 A ENDBRANCH 3 17 ENDBRANCH 1 7 BRANCH 1 20 ATOM 20 C LIG 1 -1.978 -0.807 0.557 0.00 0.00 +0.156 C BRANCH 20 21 ATOM 21 C LIG 1 -2.170 -2.116 1.311 0.00 0.00 -0.023 A ATOM 22 C LIG 1 -1.954 -3.358 0.692 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -2.144 -4.547 1.398 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.558 -4.512 2.728 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -2.787 -3.288 3.353 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -2.597 -2.097 2.650 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 -3.001 -0.588 -0.495 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 -2.883 -1.300 -1.217 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.375 -0.562 0.005 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 -5.364 -0.113 -1.084 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -5.325 1.373 -1.359 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -6.244 2.234 -0.742 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -6.200 3.608 -0.988 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -5.236 4.128 -1.848 0.00 0.00 +0.041 A ATOM 35 CL LIG 1 -5.183 5.822 -2.148 0.00 0.00 -0.084 Cl ATOM 36 C LIG 1 -4.314 3.287 -2.465 0.00 0.00 +0.020 A ATOM 37 C LIG 1 -4.359 1.912 -2.220 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 8